1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile

C10H5ClFN3 — CID 56956020

IUPAC1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2Cl)c1F
InChIInChI=1S/C10H5ClFN3/c11-8-3-1-2-4-9(8)15-10(12)7(5-13)6-14-15/h1-4,6H
InChIKeyCMPFJWLWBRVLKR-UHFFFAOYSA-N
MW221.62 g/mol
LogP2.54
Rot. Bonds1

About 1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile

1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile (PubChem CID 56956020) has the molecular formula C10H5ClFN3 and a molecular weight of 221.62 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile
PubChem CID56956020
Molecular FormulaC10H5ClFN3
Molecular Weight221.62 g/mol
Exact Mass221.02
IUPAC Name1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2Cl)c1F
InChIInChI=1S/C10H5ClFN3/c11-8-3-1-2-4-9(8)15-10(12)7(5-13)6-14-15/h1-4,6H
InChIKeyCMPFJWLWBRVLKR-UHFFFAOYSA-N
XLogP2.54
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.62
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(2-fluorophenyl)pyrazole-4-carbonitrile
CID 15698846
2-(2-chlorophenyl)-1,2,4-triazole-3-carbonitrile
CID 84672776
1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 82527578
5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile
CID 122131474
5-chloro-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 53429290
1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile
CID 13281506
2-chlorobenzonitrile
CID 139060041
1-(2,4-dichlorophenyl)-5-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 13281573
2-chlorobenzonitrile;hydron
CID 131860473
4-chloro-1,5-bis(2-chlorophenyl)pyrazole-3-carbonitrile
CID 139674026
1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile
CID 15365439
4-(bromomethyl)-1-(2-chlorophenyl)-5-(difluoromethyl)pyrazole
CID 66436625

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile?
The IUPAC name of 1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile (CID 56956020) is 1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile?
The canonical SMILES for 1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile is N#Cc1cnn(-c2ccccc2Cl)c1F.
What is the InChIKey of 1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile?
The InChIKey is CMPFJWLWBRVLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3/c11-8-3-1-2-4-9(8)15-10(12)7(5-13)6-14-15/h1-4,6H.
What are the key properties of 1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile?
1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile has a molecular weight of 221.62 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile is sourced from PubChem (CID 56956020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).